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Fast Ewald sums for general van der Waals potentials

✍ Scribed by Chen, Zhuo-Min; �a?in, Tahir; Goddard, William A.

Publisher
John Wiley and Sons
Year
1997
Tongue
English
Weight
176 KB
Volume
18
Category
Article
ISSN
0192-8651

No coin nor oath required. For personal study only.

✦ Synopsis

This work considers ways to increase calculation speed for Ewald crystal summations in cases where standard combination rules do not apply. This also increases speed of free-energy perturbation theory calculations.

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